2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]piperidine

Name: 2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]piperidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₇N₃S — CID 121211893

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]piperidine

SMILESc1csc(-c2ccn(CC3CCCCN3)n2)c1

InChIInChI=1S/C13H17N3S/c1-2-7-14-11(4-1)10-16-8-6-12(15-16)13-5-3-9-17-13/h3,5-6,8-9,11,14H,1-2,4,7,10H2

InChIKeyXSGFCWGWINJDRI-UHFFFAOYSA-N

MW247.37 g/mol

LogP2.75

Rot. Bonds3

About 2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]piperidine

2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]piperidine (PubChem CID 121211893) has the molecular formula C₁₃H₁₇N₃S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name	2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]piperidine
PubChem CID	121211893
Molecular Formula	C₁₃H₁₇N₃S
Molecular Weight	247.37 g/mol
Exact Mass	247.11
IUPAC Name	2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]piperidine
SMILES	c1csc(-c2ccn(CC3CCCCN3)n2)c1
InChI	InChI=1S/C13H17N3S/c1-2-7-14-11(4-1)10-16-8-6-12(15-16)13-5-3-9-17-13/h3,5-6,8-9,11,14H,1-2,4,7,10H2
InChIKey	XSGFCWGWINJDRI-UHFFFAOYSA-N
XLogP	2.75
TPSA	29.85 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	247.37
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]piperidine?

The IUPAC name of 2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]piperidine (CID 121211893) is 2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]piperidine.

What is the SMILES notation for 2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]piperidine?

The canonical SMILES for 2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]piperidine is c1csc(-c2ccn(CC3CCCCN3)n2)c1.

What is the InChIKey of 2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]piperidine?

The InChIKey is XSGFCWGWINJDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-7-14-11(4-1)10-16-8-6-12(15-16)13-5-3-9-17-13/h3,5-6,8-9,11,14H,1-2,4,7,10H2.

What are the key properties of 2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]piperidine?

2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]piperidine has a molecular weight of 247.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]piperidine is sourced from PubChem (CID 121211893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121211893 — identifiers, structure, computed properties (public domain)

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